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CHEBI:45994 - 3-((3E)-4-(hydroxymethyl)-6-oxo-3-{[(1S,2R)-2-phenylcyclopropyl]imino}cyclohexa-1,4-dien-1-yl)alanine

Default Structure
ChEBI IDCHEBI:45994
ChEBI Name3-((3E)-4-(hydroxymethyl)-6-oxo-3-{[(1S,2R)-2-phenylcyclopropyl]imino}cyclohexa-1,4-dien-1-yl)alanine
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC18H18N2O4
Net Charge0
Average Mass326.352
Monoisotopic Mass326.12666
SMILES[H]OC1=C([H])C(=O)C(C([H])([H])[C@@]([H])(C(=O)[O-])N([H])[H])=C([H])/C1=[N+](/[H])[C@@]1([H])C([H])([H])[C@]1([H])c1c([H])c([H])c([H])c([H])c1[H]
InChIInChI=1S/C18H18N2O4/c19-13(18(23)24)6-11-7-15(17(22)9-16(11)21)20-14-8-12(14)10-4-2-1-3-5-10/h1-5,7,9,12-14,22H,6,8,19H2,(H,23,24)/b20-15+/t12-,13+,14+/m1/s1
InChIKeyVSWJBNYRCGPQPJ-SYLCOIDOSA-N
ChEBI Ontology
Outgoing Relation(s)
3-((3E)-4-(hydroxymethyl)-6-oxo-3-{[(1S,2R)-2-phenylcyclopropyl]imino}cyclohexa-1,4-dien-1-yl)alanine (CHEBI:45994) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(2S)-2-amino-3-[(3E)-4-hydroxy-6-oxo-3-{[(1S,2R)-2-phenylcyclopropyl]iminio}cyclohexa-1,4-dien-1-yl]propanoatePDBeChem
3-((3E)-4-(hydroxymethyl)-6-oxo-3-{[(1S,2R)-2-phenylcyclopropyl]imino}cyclohexa-1,4-dien-1-yl)alaninePDBeChem
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